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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:11:23 UTC
Update Date2025-03-21 18:32:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00089295
Frequency31.6
Structure
Chemical FormulaC11H10N2O3
Molecular Mass218.0691
SMILESO=[N+]([O-])c1ccc(NCc2ccco2)cc1
InChI KeyAVBZYWBFEUKWHZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass nitrobenzenes
Direct Parent nitrobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • phenylalkylamines
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alkylarylamines
    • Substituents
  • furan
  • aromatic heteromonocyclic compound
  • allyl-type 1,3-dipolar organic compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • organoheterocyclic compound
  • nitrobenzene
  • nitroaromatic compound
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • phenylalkylamine
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • organic hyponitrite